(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate

C17H18N2O3 — CID 9065322

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCc1cccc2nc(COC(=O)C[C@H]3C=CCC3)cc(=O)n12
InChIInChI=1S/C17H18N2O3/c1-12-5-4-8-15-18-14(10-16(20)19(12)15)11-22-17(21)9-13-6-2-3-7-13/h2,4-6,8,10,13H,3,7,9,11H2,1H3/t13-/m0/s1
InChIKeySKNBJQPTSRJFAY-ZDUSSCGKSA-N
MW298.34 g/mol
LogP2.40
Rot. Bonds4

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 9065322) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID9065322
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCc1cccc2nc(COC(=O)C[C@H]3C=CCC3)cc(=O)n12
InChIInChI=1S/C17H18N2O3/c1-12-5-4-8-15-18-14(10-16(20)19(12)15)11-22-17(21)9-13-6-2-3-7-13/h2,4-6,8,10,13H,3,7,9,11H2,1H3/t13-/m0/s1
InChIKeySKNBJQPTSRJFAY-ZDUSSCGKSA-N
XLogP2.40
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562397
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8845448
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126750
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921299
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 55358036
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-propylsulfonylpyrrolidine-2-carboxylate
CID 55477076
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732300
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 55510774
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8870931
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 42915856
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355841
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate
CID 8836522

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 9065322) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate is Cc1cccc2nc(COC(=O)C[C@H]3C=CCC3)cc(=O)n12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is SKNBJQPTSRJFAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-5-4-8-15-18-14(10-16(20)19(12)15)11-22-17(21)9-13-6-2-3-7-13/h2,4-6,8,10,13H,3,7,9,11H2,1H3/t13-/m0/s1.
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 298.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 9065322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).